Name: Name:1,2-Benzisothiazol-3(2H)-one, 5-nitro-, 1,1-dioxide
Brand: Angene
SKU: AG002LOE
Rating: 90 (10 reviews)

1,2-Benzisothiazol-3(2H)-one, 5-nitro-, 1,1-dioxide

CAS No.:

22952-20-1

Catalog Number:

AG002LOE

Molecular Formula:

C7H4N2O5S

Molecular Weight:

228.1821

Catalog Number:

AG002LOE

Chemical Name:

1,2-Benzisothiazol-3(2H)-one, 5-nitro-, 1,1-dioxide

CAS Number:

22952-20-1

Molecular Formula:

C7H4N2O5S

Molecular Weight:

228.1821

MDL Number:

MFCD09842513

IUPAC Name:

5-nitro-1,1-dioxo-1,2-benzothiazol-3-one

InChI:

InChI=1S/C7H4N2O5S/c10-7-5-3-4(9(11)12)1-2-6(5)15(13,14)8-7/h1-3H,(H,8,10)

InChI Key:

KABUZPWVPGUDIR-UHFFFAOYSA-N

SMILES:

O=C1NS(=O)(=O)c2c1cc(cc2)[N+](=O)[O-]

NSC Number:

362813

Complexity:

406

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

227.984g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

228.178g/mol

Monoisotopic Mass:

227.984g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

117A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.7